SCHEMBL26396791

SCHEMBL26396791

CC(=O)Nc1n[nH]c2ccc(-c3cc(C#N)ccc3Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ CDK2 P24941 5/20 0.47
▸ DAPK3 O43293 4/20 0.47
▸ CLK2 P49760 4/20 0.47
▸ CDK5 Q00535 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ STK17A Q9UEE5 3/20 0.47
▸ MAP4K2 Q12851 3/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ PKN2 Q16513 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ MAPK13 O15264 2/20 0.47
▸ MAPK12 P53778 2/20 0.47
▸ TAOK1 Q7L7X3 2/20 0.47
▸ HIPK4 Q8NE63 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ AURKA O14965 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26396309 0.85 LRRK2 (0.45) GSK3BDYRK1ACDK2DAPK3CLK2
SCHEMBL26394149 0.84 GSK3B (0.46) GSK3BCDK2GSK3APIM1
SCHEMBL26396381 0.84 GSK3B (0.40) GSK3BDYRK1ACDK2DAPK3CLK2
SCHEMBL26397024 0.84 LRRK2 (0.41) GSK3BDYRK1ACDK2DAPK3CLK2
Hydrochloric Acid SCHEMBL26132206 0.83 GSK3B (0.45) GSK3BCDK2GSK3APIM1
Hydrochloric Acid SCHEMBL26132356 0.83 GSK3B (0.40) GSK3BDYRK1ACDK2DAPK3CLK2
SCHEMBL26396394 0.82 ULK1 (0.41) GSK3BDYRK1ACDK2DAPK3CLK2
SCHEMBL26395004 0.82 GSK3B (0.47) GSK3BDYRK1ACDK2GSK3APIM1
Hydrochloric Acid SCHEMBL26132402 0.82 ULK1 (0.43) GSK3BDYRK1ACDK2DAPK3CLK2
SCHEMBL26396503 0.81 GSK3B (0.41) GSK3BDYRK1ACDK2DAPK3CLK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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